SCHEMBL5852104

SCHEMBL5852104

[CH2]Cc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
TP53 P04637 3/20 0.68
EPHX1 P07099 1/20 0.68
TSHR P16473 1/20 0.68
EPHX2 P34913 1/20 0.68
CDK9 P50750 1/20 0.68
CLK4 Q9HAZ1 1/20 0.68
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
MAOB P27338 3/20 0.62
MAOA P21397 2/20 0.62
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
TAAR1 Q96RJ0 3/20 0.60
KMT2A Q03164 3/20 0.60
HIF1A Q16665 2/20 0.60
SIRT1 Q96EB6 1/20 0.58
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
NOX1 Q9Y5S8 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2891493 0.86 SMN1; SMN2 (0.71) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11059378 0.85 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL2817203 0.84 SMN1; SMN2 (0.68) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL95460 0.83 SMN1; SMN2 (0.74) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL133103 0.82 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL6521944 0.82 TP53 (0.65) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL4112384 0.82 RAB9A (0.69) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL5151866 0.82 KMT2A (0.74) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL545945 0.82 SMN1; SMN2 (0.65) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8868648 0.81 SMN1; SMN2 (0.63) SMN1; SMN2TP53EPHX1TSHREPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SMN1; SMN2 3410/4885TP53 3223/4885EPHX1 445/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SMN1; SMN2 3410/4885TP53 3223/4885EPHX1 445/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SMN1; SMN2 3410/4885TP53 3223/4885EPHX1 445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.